[2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

C13H17ClN2O — CID 155980153

IUPAC[2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESOCC12CCCC1CN(c1ncccc1Cl)C2
InChIInChI=1S/C13H17ClN2O/c14-11-4-2-6-15-12(11)16-7-10-3-1-5-13(10,8-16)9-17/h2,4,6,10,17H,1,3,5,7-9H2
InChIKeyCVPOQLMUULMCBJ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.33
Rot. Bonds2

About [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

[2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (PubChem CID 155980153) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
PubChem CID155980153
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name[2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESOCC12CCCC1CN(c1ncccc1Cl)C2
InChIInChI=1S/C13H17ClN2O/c14-11-4-2-6-15-12(11)16-7-10-3-1-5-13(10,8-16)9-17/h2,4,6,10,17H,1,3,5,7-9H2
InChIKeyCVPOQLMUULMCBJ-UHFFFAOYSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (CID 155980153) is [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is OCC12CCCC1CN(c1ncccc1Cl)C2.
What is the InChIKey of [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The InChIKey is CVPOQLMUULMCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-4-2-6-15-12(11)16-7-10-3-1-5-13(10,8-16)9-17/h2,4,6,10,17H,1,3,5,7-9H2.
What are the key properties of [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
[2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol has a molecular weight of 252.74 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 155980153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).